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CHEBI:174635 - Thiophene-4,5-epoxide

ChEBI IDCHEBI:174635
ChEBI NameThiophene-4,5-epoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O4S
Net Charge0
Average Mass276.313
Monoisotopic Mass276.04563
SMILESCC(C(=O)O)c1ccc(C(=O)C2=CC3OC3S2)cc1
InChIInChI=1S/C14H12O4S/c1-7(13(16)17)8-2-4-9(5-3-8)12(15)11-6-10-14(18-10)19-11/h2-7,10,14H,1H3,(H,16,17)
InChIKeySDGBIPHZPNRUFG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Thiophene-4,5-epoxide (CHEBI:174635) is a benzenes (CHEBI:22712)
Thiophene-4,5-epoxide (CHEBI:174635) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-[4-(6-oxa-2-thiabicyclo[3.1.0]hex-3-ene-3-carbonyl)phenyl]propanoic acid
Manual XrefsDatabases
35031821ChemSpider
HMDB0060925HMDB